ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007957
RECORD_TITLE: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL ACETATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: (E)-3,7-DIMETHYL-2,6-OCTADIENE-1-YL ACETATE
CH$NAME: GERANYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₂
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(C)=CCCC(C)=C([H])COC(C)=O
CH$IUPAC: InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
CH$LINK: INCHIKEY HIGQPQRQIQDZMP-DHZHZOJOSA-N
CH$LINK: COMPTOX DTXSID0020654

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV

PK$SPLASH: splash10-0a4i-9400000000-8fd84f9c1d50f54630ed
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  32 1.79 18
  42 2.12 21
  45 2.35 24
  59 99.99 999
  60 2.06 21
  71 0.97 10
  73 5.11 51
  83 1.57 16
  84 1.52 15
  99 0.97 10
  110 1.37 14
  111 1.12 11
  112 3 30
  119 1.28 13
  125 0.99 10
  129 0.96 10
  133 1.03 10
  135 11.56 116
  136 1.28 13
  137 1.64 16
  138 1.17 12
  141 1.14 11
  147 7.9 79
  149 10.36 104
  150 0.97 10
  151 1.23 12
  153 1.08 11
  162 5.91 59
  163 2.55 26
  176 1.23 12
  195 5.76 58
  234 3.44 34
  236 2.55 26
//